3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide

C18H20INO3 — CID 17079543

IUPAC3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1I
InChIInChI=1S/C18H20INO3/c1-12(2)11-23-15-6-4-5-14(10-15)20-18(21)13-7-8-17(22-3)16(19)9-13/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyBOYBRCXWZBDCNS-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.59
Rot. Bonds6

About 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide

3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079543) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079543
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC Name3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1I
InChIInChI=1S/C18H20INO3/c1-12(2)11-23-15-6-4-5-14(10-15)20-18(21)13-7-8-17(22-3)16(19)9-13/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyBOYBRCXWZBDCNS-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164546
3-cyano-N-(3-methoxyphenyl)-4-(2-methylpropoxy)benzamide;dichloromethane
CID 69438481
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079543) is 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is BOYBRCXWZBDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-12(2)11-23-15-6-4-5-14(10-15)20-18(21)13-7-8-17(22-3)16(19)9-13/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 425.27 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).